Molecule ID: mol3901
SMILES: CC(=O)OCCc1c[nH]cn1
InChI: InChI=1S/C7H10N2O2/c1-6(10)11-3-2-7-4-8-5-9-7/h4-5H,2-3H2,1H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.06 | QSARToolbox | 1 » 0 |
| 6.06 | IUPAC digitized pKa | 1 » 0 |
| 6.97 | QSARToolbox | 1 » 0 |
| 6.97 | OCHEM | 1 » 0 |
| 6.97 | IUPAC digitized pKa | 1 » 0 |
| 6.97 | IUPAC digitized pKa | 1 » 0 |
| 6.97 | Datawarrior | 1 » 0 |
| 6.97 | AttenGpKa training set | 1 » 0 |